1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

C110H137Cl4N9O8 — CID 158571854

About 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one

1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (PubChem CID 158571854) has the molecular formula C110H137Cl4N9O8 and a molecular weight of 1855.17 g/mol. Its IUPAC name is 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

Molecular Properties

• Compound Name: 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• PubChem CID: 158571854
• Molecular Formula: C110H137Cl4N9O8
• Molecular Weight: 1855.17 g/mol
• Exact Mass: 1851.93
• IUPAC Name: 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one
• SMILES: CC(=O)C(OC(C)(C)C)c1c(C)nc2c(c(C)c(C)n2CC(C)C)c1-c1ccc(Cl)cc1.CC(=O)C(OC(C)(C)C)c1c(C)nc2c(c(C)c(C)n2Cc2cccc(C)n2)c1-c1ccc(Cl)cc1.CCCCn1c(C)c(C)c2c(-c3ccc(Cl)cc3)c(C(OC(C)(C)C)C(C)=O)c(C)nc21.CCCn1c(C)c(C)c2c(-c3ccc(Cl)cc3)c(C(OC(C)(C)C)C(C)=O)c(C)nc21
• InChI: InChI=1S/C30H34ClN3O2.2C27H35ClN2O2.C26H33ClN2O2/c1-17-10-9-11-24(32-17)16-34-20(4)18(2)25-27(22-12-14-23(31)15-13-22)26(19(3)33-29(25)34)28(21(5)35)36-30(6,7)8;1-15(2)14-30-18(5)16(3)22-24(20-10-12-21(28)13-11-20)23(17(4)29-26(22)30)25(19(6)31)32-27(7,8)9;1-9-10-15-30-18(4)16(2)22-24(20-11-13-21(28)14-12-20)23(17(3)29-26(22)30)25(19(5)31)32-27(6,7)8;1-9-14-29-17(4)15(2)21-23(19-10-12-20(27)13-11-19)22(16(3)28-25(21)29)24(18(5)30)31-26(6,7)8/h9-15,28H,16H2,1-8H3;10-13,15,25H,14H2,1-9H3;11-14,25H,9-10,15H2,1-8H3;10-13,24H,9,14H2,1-8H3
• InChIKey: HSEFGYGUYXRQMI-UHFFFAOYSA-N
• XLogP: 29.53
• TPSA: 189.37 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 25
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1855.17
LogP ≤ 5	29.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The IUPAC name of 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one (CID 158571854) is 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one.

What is the SMILES notation for 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The canonical SMILES for 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is CC(=O)C(OC(C)(C)C)c1c(C)nc2c(c(C)c(C)n2CC(C)C)c1-c1ccc(Cl)cc1.CC(=O)C(OC(C)(C)C)c1c(C)nc2c(c(C)c(C)n2Cc2cccc(C)n2)c1-c1ccc(Cl)cc1.CCCCn1c(C)c(C)c2c(-c3ccc(Cl)cc3)c(C(OC(C)(C)C)C(C)=O)c(C)nc21.CCCn1c(C)c(C)c2c(-c3ccc(Cl)cc3)c(C(OC(C)(C)C)C(C)=O)c(C)nc21.

What is the InChIKey of 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

The InChIKey is HSEFGYGUYXRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34ClN3O2.2C27H35ClN2O2.C26H33ClN2O2/c1-17-10-9-11-24(32-17)16-34-20(4)18(2)25-27(22-12-14-23(31)15-13-22)26(19(3)33-29(25)34)28(21(5)35)36-30(6,7)8;1-15(2)14-30-18(5)16(3)22-24(20-10-12-21(28)13-11-20)23(17(4)29-26(22)30)25(19(6)31)32-27(7,8)9;1-9-10-15-30-18(4)16(2)22-24(20-11-13-21(28)14-12-20)23(17(3)29-26(22)30)25(19(5)31)32-27(6,7)8;1-9-14-29-17(4)15(2)21-23(19-10-12-20(27)13-11-19)22(16(3)28-25(21)29)24(18(5)30)31-26(6,7)8/h9-15,28H,16H2,1-8H3;10-13,15,25H,14H2,1-9H3;11-14,25H,9-10,15H2,1-8H3;10-13,24H,9,14H2,1-8H3.

What are the key properties of 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one?

1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one has a molecular weight of 1855.17 g/mol, XLogP of 29.53, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-butyl-4-(4-chlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-(2-methylpropyl)pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one;1-[4-(4-chlorophenyl)-2,3,6-trimethyl-1-propylpyrrolo[2,3-b]pyridin-5-yl]-1-[(2-methylpropan-2-yl)oxy]propan-2-one is sourced from PubChem (CID 158571854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).